smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=O)c2c1c1c3cc(Cl)ccc3[nH]c1c1[nH]c3ccc(Cl)cc3c12	ZINC000006567263	570483577	/nfs/dbraw/zinc/48/35/77/570483577.db2.gz	DYJREVOKIDWZEE-UHFFFAOYSA-N	-1	3	394.217	5.146	40	5		GKBBHM
O=c1[n-]c(-c2ccc(Cl)c([N+](=O)[O-])c2)nc2sc3c(c21)CCCCCC3	ZINC000408996856	231143573	/nfs/dbraw/zinc/14/35/73/231143573.db2.gz	BATGTWGZYGFWDW-UHFFFAOYSA-N	-1	3	389.864	5.285	40	5		GKBBHM
O=[N+]([O-])c1cc([N+](=O)[O-])c(C(=C([O-])c2ccccc2)c2ccccc2)cc1Cl	ZINC000003844553	204019196	/nfs/dbraw/zinc/01/91/96/204019196.db2.gz	BQGRLOVNVQYFMI-LJQANCHMSA-N	-1	3	396.786	5.171	40	5		GKBBHM
O=C([N-]c1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccc([N+](=O)[O-])o1	ZINC000017081782	570927030	/nfs/dbraw/zinc/92/70/30/570927030.db2.gz	FAJUVCUOVAALHC-UHFFFAOYSA-N	-1	3	399.815	5.370	40	5		GKBBHM
COc1ccc(Cl)cc1N/C=C(\[O-])c1cc2c(ccc3ccccc32)oc1=O	ZINC000101174629	570281542	/nfs/dbraw/zinc/28/15/42/570281542.db2.gz	AIXYDITUOAHAGI-UNOMPAQXSA-N	-1	3	393.826	5.577	40	5		GKBBHM
O=C([N-]c1cc(-c2nc3ccccc3s2)ccc1Cl)c1ccc([N+](=O)[O-])o1	ZINC000002339769	209357163	/nfs/dbraw/zinc/35/71/63/209357163.db2.gz	MHCIYPCPVBEOEN-UHFFFAOYSA-N	-1	3	399.815	5.370	40	5		GKBBHM
CC(C)c1ccc(-c2nc3cc([N-]C(=O)c4ccc([N+](=O)[O-])o4)ccc3o2)cc1	ZINC000008902964	528053769	/nfs/dbraw/zinc/05/37/69/528053769.db2.gz	PXXDZVANZZFAMF-UHFFFAOYSA-N	-1	3	391.383	5.372	40	5		GKBBHM